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DocumentationIdentifier: MM80021
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80021 |
| SMILES |
C=CC(=O)CC(C=O)OC
|
| InChIKey |
PGQUZVNSFYNPSM-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142139
Similarity: 0.754
Similarity to MM142139
| Tanimoto metric | 0.754 |
|---|---|
| Cosine metric | 0.8683 |
| Dice metric | 0.8597 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44499
Similarity: 0.7381
Similarity to MM44499
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8493 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264314
Similarity: 0.6531
Similarity to MM264314
| Tanimoto metric | 0.6531 |
|---|---|
| Cosine metric | 0.7907 |
| Dice metric | 0.7901 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+204 more
